%chk=000004969.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004969

0 1
 O    4.510100      0.9806000     -2.8899999E-02
 O   -2.612800      -1.327200       1.592200    
 O   -3.839000      -1.697400     -0.4491000    
 O    1.531100      -2.574400      -2.337100    
 O   0.8571000      -4.084400     -0.1028000    
 N    1.019800       2.160000      0.3684000    
 C   0.2464000       3.211200     -0.2992000    
 C   -1.214200       3.201500      0.2094000    
 C    2.371600       2.103600     -0.1624000    
 C   -1.926200       1.906800      6.9999998E-04
 C    3.194400       1.013300      0.5244000    
 C   0.9390000       4.550800     -4.8300002E-02
 C    2.569200     -0.3516000      0.3528000    
 C   -1.876600      0.9209000      0.9892000    
 C   -2.641600       1.690600      -1.190200    
 C   -2.550300     -0.2594000      0.7508000    
 C   -3.250500     -0.4708000     -0.4149000    
 C   -3.315300      0.4862000      -1.406500    
 C    2.337500     -0.8353000     -0.9243000    
 C    2.239300      -1.091800       1.476000    
 C   -3.431300      -2.234200      0.8258000    
 C    1.759500      -2.094800      -1.082600    
 C    1.661400      -2.351300       1.317900    
 C    1.421600      -2.852900      3.8600001E-02
 H   0.2233000       3.018800      -1.380200    
 H   -1.773600       4.005500     -0.2879000    
 H   -1.237600       3.461100       1.277300    
 H    1.047400       2.329600       1.373500    
 H    2.362300       1.956800      -1.249700    
 H    2.921300       3.035700      8.8000000E-03
 H    3.303100       1.249300       1.590600    
 H    1.842300       4.679500     -0.6527000    
 H    1.192600       4.694400       1.008300    
 H   0.2712000       5.373500     -0.3306000    
 H   -1.332900       1.070300       1.915900    
 H   -2.675200       2.460200      -1.957700    
 H   -3.867100      0.3153000      -2.323800    
 H    2.610600     -0.2550000      -1.801100    
 H    2.419900     -0.7118000       2.477300    
 H    4.906900       1.858100      0.1054000    
 H   -4.327900      -2.475500       1.408200    
 H   -2.864700      -3.156500      0.6530000    
 H    1.399400      -2.936500       2.195200    
 H    1.825600      -1.914300      -2.987800    
 H   0.7625000      -4.270200      -1.053300    


%chk=000004969-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004969

0 1
O 4.515260 0.793037 -0.272859
O -2.437754 -1.546608 1.645970
O -3.587932 -1.851574 -0.432899
O 1.795680 -3.088993 -2.242939
O 0.109698 -3.839090 -0.275014
N 1.235475 2.483760 0.547143
C 0.258977 3.372014 -0.131109
C -1.142342 3.243046 0.541334
C 2.468284 2.167890 -0.185824
C -1.835224 1.916606 0.268258
C 3.221531 0.947080 0.425299
C 0.708027 4.859212 -0.179524
C 2.465620 -0.358616 0.274131
C -1.756051 0.847248 1.207082
C -2.539528 1.729096 -0.950006
C -2.362341 -0.362052 0.865052
C -3.043477 -0.541827 -0.357555
C -3.158958 0.493973 -1.287003
C 2.563706 -1.098964 -0.930808
C 1.609188 -0.816434 1.300243
C -2.956519 -2.579201 0.704163
C 1.790395 -2.259427 -1.093372
C 0.826872 -1.980485 1.131241
C 0.905232 -2.697213 -0.074428
H 0.166157 2.997138 -1.169799
H -1.770279 4.074978 0.167076
H -1.021584 3.403504 1.631806
H 1.414542 2.785169 1.515584
H 2.200316 1.919507 -1.229776
H 3.198595 3.021909 -0.230520
H 3.395667 1.148559 1.506302
H 1.722379 4.954832 -0.609036
H 0.723183 5.295640 0.838509
H 0.020546 5.467505 -0.796824
H -1.217596 0.964628 2.151052
H -2.607784 2.562344 -1.659953
H -3.701332 0.358687 -2.226365
H 3.263542 -0.765718 -1.706305
H 1.532945 -0.252919 2.236099
H 4.974082 1.672087 -0.288552
H -3.728358 -3.170546 1.218124
H -2.106712 -3.178394 0.325719
H 0.138734 -2.320379 1.909936
H 2.432351 -2.764915 -2.923237
H 0.326386 -4.217796 -1.167813


